Nd3DyMg3
Alexandria ALEXAlex-ID: agm005993199 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_294_spg65
Nd2DyMg3 NdDy8 NdMg
2023-08-07 20:49:04.081268
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005993199).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005993199
data_agm005993199
_cell_length_a 7.85167
_cell_length_b 7.85167
_cell_length_c 7.10750
_cell_angle_alpha 89.99621
_cell_angle_beta 89.99620
_cell_angle_gamma 92.89006
_cell_volume 437.61097
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nd1 Nd 0.00001 0.00001 0.75337 1.00000
Nd2 Nd 0.49997 0.00003 0.25399 1.00000
Nd3 Nd 0.00003 0.49997 0.25399 1.00000
Nd4 Nd 0.50003 0.99997 0.74601 1.00000
Nd5 Nd 0.99997 0.50003 0.74601 1.00000
Nd6 Nd 0.99999 0.99999 0.24663 1.00000
Dy1 Dy 0.31335 0.31335 0.99990 1.00000
Dy2 Dy 0.68665 0.68665 0.00010 1.00000
Mg1 Mg 0.27961 0.27961 0.49999 1.00000
Mg2 Mg 0.32182 0.67818 0.50000 1.00000
Mg3 Mg 0.67818 0.32182 0.50000 1.00000
Mg4 Mg 0.25677 0.74323 1.00000 1.00000
Mg5 Mg 0.74323 0.25677 0.00000 1.00000
Mg6 Mg 0.72039 0.72039 0.50001 1.00000
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